6DXC
Crystal structure of chalcone synthase from Selaginella moellendorffii - S340C mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.220, 66.380, 103.000 |
| Unit cell angles | 90.00, 91.73, 90.00 |
Refinement procedure
| Resolution | 31.589 - 1.540 |
| R-factor | 0.1431 |
| Rwork | 0.142 |
| R-free | 0.17250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.589 | 1.595 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.049 | 0.164 |
| Rmeas | 0.069 | 0.232 |
| Rpim | 0.049 | 0.164 |
| Number of reflections | 105252 | 8805 |
| <I/σ(I)> | 9.66 | 3.06 |
| Completeness [%] | 95.5 | 80.52 |
| Redundancy | 1.8 | 1.5 |
| CC(1/2) | 0.983 | 0.891 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 277 | 0.1 M MOPSO (pH 6.6), 0.3 M Mg(NO3)2, 19% (v/v) PEG 4000, and 5 mM DTT |
